| SpectraBase Compound ID | AXo7yfcLyCY |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8,11,13-14,18H,4-7,9H2,1H3/t11-,13-,14+,17+/m1/s1 |
| InChIKey | QDTVCCUKAKYNDR-CVGURMSBSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JXBeuXGzfj4 |
|---|---|
| Name | 3-Hydroxy-6-oxaestra-1,3,5(10)-trien-17-one |
| Alternate Name(s) | (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-3,3a,3b,4,9b,10,11,11a-octahydroindeno[4,5-c]chromen-1(2H)-one (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-2,3,3a,3b,4,9b,10,11-octahydroindeno[4,5-c][1]benzopyran-1-one (3aS,3bR,9bS,11aS)-11a-methyl-7-oxidanyl-2,3,3a,3b,4,9b,10,11-octahydroindeno[4,5-c]chromen-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8,11,13-14,18H,4-7,9H2,1H3/t11-,13-,14+,17+/m1/s1 |
| InChIKey | QDTVCCUKAKYNDR-CVGURMSBSA-N |
| Molecular Weight | 272.344 g/mol |
| SMILES | Oc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(COc2c1)[H])(CCC4=O)[H])C)[H] |
| SPLASH | splash10-0002-0960000000-fe5e43d54718d1cff3b6 |
| Source of Spectrum | KC-0-843-8 |
| Wiley ID | 785428 |